N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline

C12H14F3NO — CID 43191959

IUPACN-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCC1CCOC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h1-4,9,16H,5-8H2
InChIKeyXCEFWOOHUTYYTC-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.15
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline

N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 43191959) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID43191959
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCC1CCOC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h1-4,9,16H,5-8H2
InChIKeyXCEFWOOHUTYYTC-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682
N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63740369
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 62315285
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312591
N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43192228
(E)-N-(oxolan-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 132965548
2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61039943
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline (CID 43191959) is N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is XCEFWOOHUTYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h1-4,9,16H,5-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline?
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 245.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43191959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).